5-amino-7-benzyl-2-methoxy-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile

C20H19N5O — CID 53326509

IUPAC5-amino-7-benzyl-2-methoxy-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile
SMILESCOc1nc2nc3c(c(N)c2cc1C#N)CN(Cc1ccccc1)CC3
InChIInChI=1S/C20H19N5O/c1-26-20-14(10-21)9-15-18(22)16-12-25(11-13-5-3-2-4-6-13)8-7-17(16)23-19(15)24-20/h2-6,9H,7-8,11-12H2,1H3,(H2,22,23,24)
InChIKeyOVZKDPDAXFAGDB-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.65
Rot. Bonds3

About 5-amino-7-benzyl-2-methoxy-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile

5-amino-7-benzyl-2-methoxy-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile (PubChem CID 53326509) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 5-amino-7-benzyl-2-methoxy-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-7-benzyl-2-methoxy-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile
PubChem CID53326509
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name5-amino-7-benzyl-2-methoxy-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile
SMILESCOc1nc2nc3c(c(N)c2cc1C#N)CN(Cc1ccccc1)CC3
InChIInChI=1S/C20H19N5O/c1-26-20-14(10-21)9-15-18(22)16-12-25(11-13-5-3-2-4-6-13)8-7-17(16)23-19(15)24-20/h2-6,9H,7-8,11-12H2,1H3,(H2,22,23,24)
InChIKeyOVZKDPDAXFAGDB-UHFFFAOYSA-N
XLogP2.65
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7-benzyl-2-methoxy-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile?
The IUPAC name of 5-amino-7-benzyl-2-methoxy-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile (CID 53326509) is 5-amino-7-benzyl-2-methoxy-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-7-benzyl-2-methoxy-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile?
The canonical SMILES for 5-amino-7-benzyl-2-methoxy-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile is COc1nc2nc3c(c(N)c2cc1C#N)CN(Cc1ccccc1)CC3.
What is the InChIKey of 5-amino-7-benzyl-2-methoxy-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile?
The InChIKey is OVZKDPDAXFAGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-26-20-14(10-21)9-15-18(22)16-12-25(11-13-5-3-2-4-6-13)8-7-17(16)23-19(15)24-20/h2-6,9H,7-8,11-12H2,1H3,(H2,22,23,24).
What are the key properties of 5-amino-7-benzyl-2-methoxy-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile?
5-amino-7-benzyl-2-methoxy-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile has a molecular weight of 345.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-benzyl-2-methoxy-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile is sourced from PubChem (CID 53326509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).